The dissipative translocation of
the Zn
2+
ion between
two prototypical coordination complexes has been investigated by combining
X-ray absorption and
1
H NMR spectroscopy. An integrated
experimental and theoretical approach, based on state-of-the-art Multivariate
Curve Resolution and DFT based theoretical analyses, is presented
as a means to understand the concentration time evolution of all relevant
Zn and organic species in the investigated processes, and accurately
characterize the solution structures of the key metal coordination
complexes. Specifically, we investigate the dissipative translocation
of the Zn
2+
cation from hexaaza-18-crown-6 to two terpyridine
moieties and back again to hexaaza-18-crown-6 using 2-cyano-2-phenylpropanoic
acid and its
para
-chloro derivative as fuels. Our
interdisciplinary approach has been proven to be a valuable tool to
shed light on reactive systems containing metal ions that are silent
to other spectroscopic methods. These combined experimental approaches
will enable future applications to chemical and biological systems
in a predictive manner.